Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.38 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.38 |
| ▸ | BIRC5 | O15392 | 1/20 | 0.38 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.38 |
| ▸ | TNF | P01375 | 1/20 | 0.38 |
| ▸ | NQO2 | P16083 | 1/20 | 0.37 |
| ▸ | PTGES | O14684 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.36 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.36 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1147558 | 0.80 | BACE1 (0.41) | CYP1A2HTTBIRC5KDRDYRK1A | |
| SCHEMBL30666632 | 0.80 | CYP1A2 (0.53) | CYP1A2CYP2A6PDE3BPDE3APSMB5 | |
| SCHEMBL2633153 | 0.80 | CYP1A2 (0.53) | CYP1A2CYP2A6PDE3BPDE3APSMB5 | |
| SCHEMBL18318196 | 0.77 | SMN1; SMN2 (0.44) | CYP1A2CYP2A6MAPTHTTSMN1; SMN2 | |
| SCHEMBL17309719 | 0.77 | CYP1A2 (0.39) | CYP1A2CYP2A6MAPK1ALDH1A1MAPT | |
| SCHEMBL5546091 | 0.77 | PDE3B (0.41) | CYP1A2CYP2A6MAPK1ALDH1A1PDE3B | |
| SCHEMBL23246961 | 0.77 | MEN1 (0.40) | MAPTSMN1; SMN2BIRC5PTGESKDR | |
| SCHEMBL24151481 | 0.77 | KMT2A (0.47) | CYP1A2ALDH1A1MAPTHTTNPSR1 | |
| SCHEMBL21064338 | 0.77 | CYP1A2 (0.39) | CYP1A2CYP2A6ALDH1A1PDE3BPDE3A | |
| SCHEMBL18378968 | 0.77 | CYP1A2 (0.39) | CYP1A2CYP2A6SMN1; SMN2PDE3BPDE3A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230128402-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | THE TRUSTEES OF PRINCETON UNIVERSITY | 2023-04-27 | — | — | US | disclosed |
| US-20230128402-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | THE TRUSTEES OF PRINCETON UNIVERSITY | 2023-04-27 | — | — | US | disclosed |
| US-20230128402-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | THE TRUSTEES OF PRINCETON UNIVERSITY | 2023-04-27 | — | — | US | disclosed |
| EP-4093400-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | The Trustees of Princeton University (US) | 2022-11-30 | — | — | EP | disclosed |
| WO-2021151062-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | THE TRUSTEES OF PRINCETON UNIVERISTY (US) | 2021-07-29 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20230128402-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | PAH, ALDH2, IDH2 | CYP1A2 329/4885CYP2A6 1025/4885MAPK1 1568/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.